2-(4-Nitrophenyl)-4-phenyl-3H-1,5-benzodiazepine
Basic information
- CAS
67502-84-5- Standard SMILES
O=[N+]([O-])c1ccc(C2=Nc3ccccc3N=C(c3ccccc3)C2)cc1- InChIKey
JWAXLVXZTCRKQI-UHFFFAOYSA-N- Molecular formula
- C21H15N3O2
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.11642673
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)-4-phenyl-3H-1,5-benzodiazepine
- IUPAC
- 4-(4-nitrophenyl)-2-phenyl-3H-1,5-benzodiazepine
Names & synonyms
67502-84-52-(4-Nitrophenyl)-4-phenyl-3H-1,5-benzodiazepineDTXSID50497224
Database identifiers
- CAS
67502-84-5- PubChem CID
- 12415467
- DTXSID
DTXSID50497224
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 566
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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